BDBM50400044 CHEMBL2177726::US9169259, I-54

SMILES: COc1ccc(Nc2cc(nn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC

InChI Key: InChIKey=WJUBSMDLPZZQFJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50400044   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50400044 (CHEMBL2177726 | US9169259, I-54) Show SMILES COc1ccc(Nc2cc(nn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(31-26(22)38-2)30-21-15-20(32-33-13-12-28-24(21)33)17-4-3-5-18(14-17)25(34)29-19-8-6-16(7-9-19)27(35)36/h3-15H,1-2H3,(H,29,34)(H,30,31)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis				J Med Chem 55: 10414-23 (2012) Article DOI: 10.1021/jm301367c BindingDB Entry DOI: 10.7270/Q2057H23
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM50400044 (CHEMBL2177726 | US9169259, I-54) Show SMILES COc1ccc(Nc2cc(nn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(31-26(22)38-2)30-21-15-20(32-33-13-12-28-24(21)33)17-4-3-5-18(14-17)25(34)29-19-8-6-16(7-9-19)27(35)36/h3-15H,1-2H3,(H,29,34)(H,30,31)(H,35,36)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 um filter plates (Millipore Cat. No.: MADVNOB10)Streptavidin coated beads: Streptavidin Sepharose, suspension ...				US Patent US9169259 (2015) BindingDB Entry DOI: 10.7270/Q2H130S2
					More data for this Ligand-Target Pair